Structure Information
Structure

Compound Identification

SMILES

COC(=O)N1[C@H]2OC(=O)[C@@H](C#N)[C@]2(C2=C1C=C(Br)C=C2)C(C)(C)C=C

InChIKey

InChIKey=KCOPDYQRSPVLBA-MRAWALMUSA-N

Formula

C18H17BrN2O4

Mass

405.248

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indolecarboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Indolecarboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indolecarboxylic acid - Aryl bromide - Aryl halide - Gamma butyrolactone - Benzenoid - Oxolane - Carbamic acid ester - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Cyanide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.

External Descriptors

Not available

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